AceDRG: a stereochemical description generator for ligands

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AceDRG: a stereochemical description generator for ligands is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1107/S2059798317000067
P932PMC publication ID5297914
P698PubMed publication ID28177307

P50authorAndrius MerkysQ56248678
Antanas VaitkusQ61055226
P2093author name stringSaulius Gražulis
Garib N Murshudov
Fei Long
Robert A Nicholls
Paul Emsley
P2860cites workLow-resolution refinement tools in REFMAC5.Q42046452
Recent developments in the methods and applications of the bond valence modelQ42072806
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Techniques, tools and best practices for ligand electron-density analysis and results from their application to deposited crystal structuresQ45808867
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Accurate bond and angle parameters for X-ray protein structure refinementQ56485700
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Exploring drug target flexibility using in situ click chemistry: application to a mycobacterial transcriptional regulatorQ27664042
Exploiting structure similarity in refinement: automated NCS and target-structure restraints in BUSTERQ27678523
Description of several chemical structure file formats used by computer programs developed at Molecular Design LimitedQ27783587
REFMAC5 dictionary: organization of prior chemical knowledge and guidelines for its useQ27860632
PRODRG: a tool for high-throughput crystallography of protein-ligand complexesQ27860633
Overview of the CCP4 suite and current developmentsQ27860782
REFMAC5 for the refinement of macromolecular crystal structuresQ27860905
Features and development of CootQ27861079
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RM1: a reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and IQ28239815
The Cambridge Structural DatabaseQ28601116
Ring Perception Using Breadth-First SearchQ28837947
Presenting your structures: the CCP4mg molecular-graphics softwareQ29547443
The Protein Data BankQ29616068
Super-resolution biomolecular crystallography with low-resolution dataQ29616381
electronic Ligand Builder and Optimization Workbench (eLBOW): a tool for ligand coordinate and restraint generationQ29617258
Visualizing ligand molecules in Twilight electron densityQ30426840
Ligand Depot: a data warehouse for ligands bound to macromoleculesQ30918637
Retrieval of crystallographically-derived molecular geometry information.Q31130637
JLigand: a graphical tool for the CCP4 template-restraint libraryQ34233185
Cryo-EM enters a new eraQ34433550
PDB_REDO: constructive validation, more than just looking for errorsQ35878830
Applications of graph theory in chemistryQ37988904
Using MSDchem to search the PDB ligand dictionaryQ38390848
Validation and extraction of molecular-geometry information from small-molecule databasesQ38759936
Keep it together: restraints in crystallographic refinement of macromolecule-ligand complexesQ38759940
Validation and correction of Zn-CysxHisy complexes.Q39316796
The good, the bad and the twisted: a survey of ligand geometry in protein crystal structures.Q41830975
P433issuePt 2
P304page(s)112-122
P577publication date2017-02-01
P1433published inActa crystallographica. Section D, Structural biologyQ27727181
P1476titleAceDRG: a stereochemical description generator for ligands
P478volume73

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